2-(2,4-dimethylphenyl)-3-(2H-1,2,3,4-tetrazol-5-ylmethylsulfanyl)-1H-indole

Systemtic Name: 2-(2,4-dimethylphenyl)-3-(2H-1,2,3,4-tetrazol-5-ylmethylsulfanyl)-1H-indole Openeye Name: 2-(2,4-dimethylphenyl)-3-(2H-tetrazol-5-ylmethylsulfanyl)-1H-indole CAS Name: 2-(2,4-dimethylphenyl)-3-(2H-tetrazol-5-ylmethylthio)-1H-indole IUPAC Name: 2-(2,4-dimethylphenyl)-3-(2H-tetrazol-5-ylmethylsulfanyl)-1H-indole Traditional Name: 2-(2,4-dimethylphenyl)-3-(2H-tetrazol-5-ylmethylthio)-1H-indole Formula: C18H17N5S MolecularWeight: 335.42608

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C2=C(C3=CC=CC=C3N2)SCC4=NNN=N4)C

Isomeric SMILES

CC1=CC(=C(C=C1)C2=C(C3=CC=CC=C3N2)SCC4=NNN=N4)C

InChI

InChI=1S/C18H17N5S/c1-11-7-8-13(12(2)9-11)17-18(24-10-16-20-22-23-21-16)14-5-3-4-6-15(14)19-17/h3-9,19H,10H2,1-2H3,(H,20,21,22,23)